CID 13181320
87967-94-0
Structural Information
- Molecular Formula
- C7H9NO2
- SMILES
- CCC1=C(C(=NO1)C)C=O
- InChI
- InChI=1S/C7H9NO2/c1-3-7-6(4-9)5(2)8-10-7/h4H,3H2,1-2H3
- InChIKey
- FXXQAJPVKTYGTO-UHFFFAOYSA-N
- Compound name
- 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 140.07060 | 124.8 |
[M+Na]+ | 162.05254 | 135.2 |
[M-H]- | 138.05604 | 128.4 |
[M+NH4]+ | 157.09714 | 146.2 |
[M+K]+ | 178.02648 | 135.3 |
[M+H-H2O]+ | 122.06058 | 119.4 |
[M+HCOO]- | 184.06152 | 149.2 |
[M+CH3COO]- | 198.07717 | 173.3 |
[M+Na-2H]- | 160.03799 | 131.4 |
[M]+ | 139.06277 | 128.7 |
[M]- | 139.06387 | 128.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.